arXiv subjects

Fan Bao

Publications and source records attributed to Fan Bao.

35 records · Page 2Linked to original sources

arXiv2023

A Closer Look at Parameter-Efficient Tuning in Diffusion Models

Large-scale diffusion models like Stable Diffusion are powerful and find various real-world applications while customizing such models by fine-tuning is both memory and time inefficient. Motivated by the recent progress in natural language processing, we investigate parameter-efficient tuning in large diffusion models by inserting small learnable modules (termed adapters). In particular, we decompose the design space of adapters into orthogonal factors -- the input position, the output position as well as the function form, and perform Analysis of Variance (ANOVA), a classical statistical approach for analyzing the correlation between discrete (design options) and continuous variables (evaluation metrics). Our analysis suggests that the input position of adapters is the critical factor influencing the performance of downstream tasks. Then, we carefully study the choice of the input position, and we find that putting the input position after the cross-attention block can lead to the best performance, validated by additional visualization analyses. Finally, we provide a recipe for parameter-efficient tuning in diffusion models, which is comparable if not superior to the fully fine-tuned baseline (e.g., DreamBooth) with only 0.75 \% extra parameters, across various customized tasks.

cs.CV↗

arXiv2023

Deep Generative Modeling on Limited Data with Regularization by Nontransferable Pre-trained Models

Deep generative models (DGMs) are data-eager because learning a complex model on limited data suffers from a large variance and easily overfits. Inspired by the classical perspective of the bias-variance tradeoff, we propose regularized deep generative model (Reg-DGM), which leverages a nontransferable pre-trained model to reduce the variance of generative modeling with limited data. Formally, Reg-DGM optimizes a weighted sum of a certain divergence and the expectation of an energy function, where the divergence is between the data and the model distributions, and the energy function is defined by the pre-trained model w.r.t. the model distribution. We analyze a simple yet representative Gaussian-fitting case to demonstrate how the weighting hyperparameter trades off the bias and the variance. Theoretically, we characterize the existence and the uniqueness of the global minimum of Reg-DGM in a non-parametric setting and prove its convergence with neural networks trained by gradient-based methods. Empirically, with various pre-trained feature extractors and a data-dependent energy function, Reg-DGM consistently improves the generation performance of strong DGMs with limited data and achieves competitive results to the state-of-the-art methods. Our implementation is available at https://github.com/ML-GSAI/Reg-ADA-APA.

cs.LG↗

arXiv2023

All are Worth Words: A ViT Backbone for Diffusion Models

Vision transformers (ViT) have shown promise in various vision tasks while the U-Net based on a convolutional neural network (CNN) remains dominant in diffusion models. We design a simple and general ViT-based architecture (named U-ViT) for image generation with diffusion models. U-ViT is characterized by treating all inputs including the time, condition and noisy image patches as tokens and employing long skip connections between shallow and deep layers. We evaluate U-ViT in unconditional and class-conditional image generation, as well as text-to-image generation tasks, where U-ViT is comparable if not superior to a CNN-based U-Net of a similar size. In particular, latent diffusion models with U-ViT achieve record-breaking FID scores of 2.29 in class-conditional image generation on ImageNet 256x256, and 5.48 in text-to-image generation on MS-COCO, among methods without accessing large external datasets during the training of generative models. Our results suggest that, for diffusion-based image modeling, the long skip connection is crucial while the down-sampling and up-sampling operators in CNN-based U-Net are not always necessary. We believe that U-ViT can provide insights for future research on backbones in diffusion models and benefit generative modeling on large scale cross-modality datasets.

cs.CV↗

arXiv2023

Equivariant Energy-Guided SDE for Inverse Molecular Design

Inverse molecular design is critical in material science and drug discovery, where the generated molecules should satisfy certain desirable properties. In this paper, we propose equivariant energy-guided stochastic differential equations (EEGSDE), a flexible framework for controllable 3D molecule generation under the guidance of an energy function in diffusion models. Formally, we show that EEGSDE naturally exploits the geometric symmetry in 3D molecular conformation, as long as the energy function is invariant to orthogonal transformations. Empirically, under the guidance of designed energy functions, EEGSDE significantly improves the baseline on QM9, in inverse molecular design targeted to quantum properties and molecular structures. Furthermore, EEGSDE is able to generate molecules with multiple target properties by combining the corresponding energy functions linearly.

physics.chem-ph↗

arXiv2022

EGSDE: Unpaired Image-to-Image Translation via Energy-Guided Stochastic Differential Equations

Score-based diffusion models (SBDMs) have achieved the SOTA FID results in unpaired image-to-image translation (I2I). However, we notice that existing methods totally ignore the training data in the source domain, leading to sub-optimal solutions for unpaired I2I. To this end, we propose energy-guided stochastic differential equations (EGSDE) that employs an energy function pretrained on both the source and target domains to guide the inference process of a pretrained SDE for realistic and faithful unpaired I2I. Building upon two feature extractors, we carefully design the energy function such that it encourages the transferred image to preserve the domain-independent features and discard domain-specific ones. Further, we provide an alternative explanation of the EGSDE as a product of experts, where each of the three experts (corresponding to the SDE and two feature extractors) solely contributes to faithfulness or realism. Empirically, we compare EGSDE to a large family of baselines on three widely-adopted unpaired I2I tasks under four metrics. EGSDE not only consistently outperforms existing SBDMs-based methods in almost all settings but also achieves the SOTA realism results without harming the faithful performance. Furthermore, EGSDE allows for flexible trade-offs between realism and faithfulness and we improve the realism results further (e.g., FID of 51.04 in Cat to Dog and FID of 50.43 in Wild to Dog on AFHQ) by tuning hyper-parameters. The code is available at https://github.com/ML-GSAI/EGSDE.

cs.CV↗

arXiv2022

Why Are Conditional Generative Models Better Than Unconditional Ones?

Extensive empirical evidence demonstrates that conditional generative models are easier to train and perform better than unconditional ones by exploiting the labels of data. So do score-based diffusion models. In this paper, we analyze the phenomenon formally and identify that the key of conditional learning is to partition the data properly. Inspired by the analyses, we propose self-conditioned diffusion models (SCDM), which is trained conditioned on indices clustered by the k-means algorithm on the features extracted by a model pre-trained in a self-supervised manner. SCDM significantly improves the unconditional model across various datasets and achieves a record-breaking FID of 3.94 on ImageNet 64x64 without labels. Besides, SCDM achieves a slightly better FID than the corresponding conditional model on CIFAR10.

cs.LG↗

arXiv2022

DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.

cs.LG↗

arXiv2022

Maximum Likelihood Training for Score-Based Diffusion ODEs by High-Order Denoising Score Matching

Score-based generative models have excellent performance in terms of generation quality and likelihood. They model the data distribution by matching a parameterized score network with first-order data score functions. The score network can be used to define an ODE ("score-based diffusion ODE") for exact likelihood evaluation. However, the relationship between the likelihood of the ODE and the score matching objective is unclear. In this work, we prove that matching the first-order score is not sufficient to maximize the likelihood of the ODE, by showing a gap between the maximum likelihood and score matching objectives. To fill up this gap, we show that the negative likelihood of the ODE can be bounded by controlling the first, second, and third-order score matching errors; and we further present a novel high-order denoising score matching method to enable maximum likelihood training of score-based diffusion ODEs. Our algorithm guarantees that the higher-order matching error is bounded by the training error and the lower-order errors. We empirically observe that by high-order score matching, score-based diffusion ODEs achieve better likelihood on both synthetic data and CIFAR-10, while retaining the high generation quality.

stat.ML↗

arXiv2022

Estimating the Optimal Covariance with Imperfect Mean in Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) are a class of powerful deep generative models (DGMs). Despite their success, the iterative generation process over the full timesteps is much less efficient than other DGMs such as GANs. Thus, the generation performance on a subset of timesteps is crucial, which is greatly influenced by the covariance design in DPMs. In this work, we consider diagonal and full covariances to improve the expressive power of DPMs. We derive the optimal result for such covariances, and then correct it when the mean of DPMs is imperfect. Both the optimal and the corrected ones can be decomposed into terms of conditional expectations over functions of noise. Building upon it, we propose to estimate the optimal covariance and its correction given imperfect mean by learning these conditional expectations. Our method can be applied to DPMs with both discrete and continuous timesteps. We consider the diagonal covariance in our implementation for computational efficiency. For an efficient practical implementation, we adopt a parameter sharing scheme and a two-stage training process. Empirically, our method outperforms a wide variety of covariance design on likelihood results, and improves the sample quality especially on a small number of timesteps.

cs.LG↗

arXiv2022

Analytic-DPM: an Analytic Estimate of the Optimal Reverse Variance in Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) represent a class of powerful generative models. Despite their success, the inference of DPMs is expensive since it generally needs to iterate over thousands of timesteps. A key problem in the inference is to estimate the variance in each timestep of the reverse process. In this work, we present a surprising result that both the optimal reverse variance and the corresponding optimal KL divergence of a DPM have analytic forms w.r.t. its score function. Building upon it, we propose Analytic-DPM, a training-free inference framework that estimates the analytic forms of the variance and KL divergence using the Monte Carlo method and a pretrained score-based model. Further, to correct the potential bias caused by the score-based model, we derive both lower and upper bounds of the optimal variance and clip the estimate for a better result. Empirically, our analytic-DPM improves the log-likelihood of various DPMs, produces high-quality samples, and meanwhile enjoys a 20x to 80x speed up.

cs.LG↗

arXiv2021

Stability and Generalization of Bilevel Programming in Hyperparameter Optimization

The (gradient-based) bilevel programming framework is widely used in hyperparameter optimization and has achieved excellent performance empirically. Previous theoretical work mainly focuses on its optimization properties, while leaving the analysis on generalization largely open. This paper attempts to address the issue by presenting an expectation bound w.r.t. the validation set based on uniform stability. Our results can explain some mysterious behaviours of the bilevel programming in practice, for instance, overfitting to the validation set. We also present an expectation bound for the classical cross-validation algorithm. Our results suggest that gradient-based algorithms can be better than cross-validation under certain conditions in a theoretical perspective. Furthermore, we prove that regularization terms in both the outer and inner levels can relieve the overfitting problem in gradient-based algorithms. In experiments on feature learning and data reweighting for noisy labels, we corroborate our theoretical findings.

cs.LG↗

arXiv2021

Variational (Gradient) Estimate of the Score Function in Energy-based Latent Variable Models

The learning and evaluation of energy-based latent variable models (EBLVMs) without any structural assumptions are highly challenging, because the true posteriors and the partition functions in such models are generally intractable. This paper presents variational estimates of the score function and its gradient with respect to the model parameters in a general EBLVM, referred to as VaES and VaGES respectively. The variational posterior is trained to minimize a certain divergence to the true model posterior and the bias in both estimates can be bounded by the divergence theoretically. With a minimal model assumption, VaES and VaGES can be applied to the kernelized Stein discrepancy (KSD) and score matching (SM)-based methods to learn EBLVMs. Besides, VaES can also be used to estimate the exact Fisher divergence between the data and general EBLVMs.

cs.LG↗

arXiv2020

Bi-level Score Matching for Learning Energy-based Latent Variable Models

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some special cases. This paper presents a bi-level score matching (BiSM) method to learn EBLVMs with general structures by reformulating SM as a bi-level optimization problem. The higher level introduces a variational posterior of the latent variables and optimizes a modified SM objective, and the lower level optimizes the variational posterior to fit the true posterior. To solve BiSM efficiently, we develop a stochastic optimization algorithm with gradient unrolling. Theoretically, we analyze the consistency of BiSM and the convergence of the stochastic algorithm. Empirically, we show the promise of BiSM in Gaussian restricted Boltzmann machines and highly nonstructural EBLVMs parameterized by deep convolutional neural networks. BiSM is comparable to the widely adopted contrastive divergence and SM methods when they are applicable; and can learn complex EBLVMs with intractable posteriors to generate natural images.

cs.LG↗

arXiv2019

Boosting Generative Models by Leveraging Cascaded Meta-Models

Deep generative models are effective methods of modeling data. However, it is not easy for a single generative model to faithfully capture the distributions of complex data such as images. In this paper, we propose an approach for boosting generative models, which cascades meta-models together to produce a stronger model. Any hidden variable meta-model (e.g., RBM and VAE) which supports likelihood evaluation can be leveraged. We derive a decomposable variational lower bound of the boosted model, which allows each meta-model to be trained separately and greedily. Besides, our framework can be extended to semi-supervised boosting, where the boosted model learns a joint distribution of data and labels. Finally, we combine our boosting framework with the multiplicative boosting framework, which further improves the learning power of generative models.

cs.LG↗

arXiv2019

Towards Interpretable Deep Neural Networks by Leveraging Adversarial Examples

Sometimes it is not enough for a DNN to produce an outcome. For example, in applications such as healthcare, users need to understand the rationale of the decisions. Therefore, it is imperative to develop algorithms to learn models with good interpretability (Doshi-Velez 2017). An important factor that leads to the lack of interpretability of DNNs is the ambiguity of neurons, where a neuron may fire for various unrelated concepts. This work aims to increase the interpretability of DNNs on the whole image space by reducing the ambiguity of neurons. In this paper, we make the following contributions: 1) We propose a metric to evaluate the consistency level of neurons in a network quantitatively. 2) We find that the learned features of neurons are ambiguous by leveraging adversarial examples. 3) We propose to improve the consistency of neurons on adversarial example subset by an adversarial training algorithm with a consistent loss.

cs.LG↗

arXiv2017

Towards Interpretable Deep Neural Networks by Leveraging Adversarial Examples

Deep neural networks (DNNs) have demonstrated impressive performance on a wide array of tasks, but they are usually considered opaque since internal structure and learned parameters are not interpretable. In this paper, we re-examine the internal representations of DNNs using adversarial images, which are generated by an ensemble-optimization algorithm. We find that: (1) the neurons in DNNs do not truly detect semantic objects/parts, but respond to objects/parts only as recurrent discriminative patches; (2) deep visual representations are not robust distributed codes of visual concepts because the representations of adversarial images are largely not consistent with those of real images, although they have similar visual appearance, both of which are different from previous findings. To further improve the interpretability of DNNs, we propose an adversarial training scheme with a consistent loss such that the neurons are endowed with human-interpretable concepts. The induced interpretable representations enable us to trace eventual outcomes back to influential neurons. Therefore, human users can know how the models make predictions, as well as when and why they make errors.

cs.CV↗

arXiv2015

Computational Network Design from Functional Specifications

Connectivity and layout of underlying networks largely determine the behavior of many environments. For example, transportation networks determine the flow of traffic in cities, or maps determine the difficulty and flow in games. Designing such networks from scratch is challenging as even local network changes can have large global effects. We investigate how to computationally create networks starting from {\em only} high-level functional specifications. Such specifications can be in the form of network density, travel time versus network length, traffic type, destination locations, etc. We propose an integer programming-based approach that guarantees that the resultant networks are valid by fulfilling all specified hard constraints, and score favorably in terms of the objective function. We evaluate our algorithm in three different design settings (i.e., street layout, floorplanning, and game level design) and demonstrate, for the first time, that diverse networks can emerge purely from high-level functional specifications.

cs.CG↗